Geometry & MOs

Info

ID:

82609

PubChem CID:

49856241

Reduced:

FPO2N6H30C32 (1)

Stoich.:

ABC2D6E30F32 (1)

Weight, g/mol:

620.175548

ΔHf, kcal/mol:

3.65

Dipole, Da:

6.08

IP(EA), eV:

 -8.58(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(4-ethoxy-4-oxo-1,4lambda5-azaphosphinan-1-yl)methyl]furan-2-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CP1(=O)CCN(CC1)CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC6=C(C=C5)N(N=C6)CC7=CC(=CC=C7)F

DOS

IR

Vibrations